LAMMPS (12 Jun 2025 - Development - patch_12Jun2025-584-g3e8807bee0-modified)
  using 1 OpenMP thread(s) per MPI task
units real
boundary p p p

atom_style full
bond_style harmonic
angle_style harmonic
special_bonds lj/coul 0.0 0.0 0.5

pair_style lj/cut/coul/long 12.0 12.0
kspace_style pppm 1.0e-3

read_data data.swm4-ndp
Reading data file ...
  orthogonal box = (-12 -12 -12) to (12 12 12)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  2500 atoms
  scanning bonds ...
  1 = max bonds/atom
  scanning angles ...
  1 = max angles/atom
  orthogonal box = (-12 -12 -12) to (12 12 12)
  1 by 2 by 2 MPI processor grid
  reading bonds ...
  2000 bonds
  reading angles ...
  500 angles
Finding 1-2 1-3 1-4 neighbors ...
  special bond factors lj:    0        0        0.5     
  special bond factors coul:  0        0        0.5     
     4 = max # of 1-2 neighbors
     3 = max # of 1-3 neighbors
     3 = max # of 1-4 neighbors
     4 = max # of special neighbors
  special bonds CPU = 0.001 seconds
  read_data CPU = 0.011 seconds

pair_coeff    1    1      0.210939     3.183950  # ODw ODw
pair_coeff    *   2*      0.000000     0.0

group ATOMS type 1:3
2000 atoms in group ATOMS
group CORES type 1
500 atoms in group CORES
group DRUDES type 4
500 atoms in group DRUDES

variable TK equal 300.0
variable TDK equal 1.0
variable PBAR equal 1.0

neighbor 2.0 bin

timestep 1.0

fix DRUDE all drude C N N D

velocity ATOMS create ${TK} 12345
velocity ATOMS create 300 12345
velocity DRUDES create ${TDK} 12345
velocity DRUDES create 1 12345

delete_bonds ATOMS multi
System init for delete_bonds ...
PPPM initialization ...
  using 12-bit tables for long-range coulomb
  G vector (1/distance) = 0.21745695
  grid = 10 10 10
  stencil order = 5
  estimated absolute RMS force accuracy = 0.19728846
  estimated relative force accuracy = 0.00059412835
  using double precision FFTW3
  3d grid and FFT values/proc = 1500 250
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
Rebuild special list taking Drude particles into account
Old max number of 1-2 to 1-4 neighbors: 4
New max number of 1-2 to 1-4 neighbors: 4 (+0)
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 14
  ghost atom cutoff = 14
  binsize = 7, bins = 4 4 4
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut/coul/long, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d
      bin: standard
Deleting bonds ...
  2000 total bonds, 500 turned on, 1500 turned off
  500 total angles, 0 turned on, 500 turned off
  0 total dihedrals, 0 turned on, 0 turned off
  0 total impropers, 0 turned on, 0 turned off

comm_modify vel yes
compute TATOM ATOMS temp/com
compute TEMP all temp/drude

fix DTDIR all drude/transform/direct
fix RIGID ATOMS rigid/npt/small molecule temp ${TK} ${TK} 100 iso ${PBAR} ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 ${TK} 100 iso ${PBAR} ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso ${PBAR} ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 1 500
Fix rigid/npt/small setup ...
  create bodies CPU = 0.000 seconds
  500 rigid bodies with 2000 atoms
  0.83209864 = max distance from body owner to body atom
fix_modify RIGID temp TATOM press thermo_press
WARNING: Temperature for fix modify is not for group all (src/RIGID/fix_rigid_nh_small.cpp:1291)
fix NVT DRUDES nvt temp ${TDK} ${TDK} 100.0
fix NVT DRUDES nvt temp 1 ${TDK} 100.0
fix NVT DRUDES nvt temp 1 1 100.0
fix DTINV all drude/transform/inverse

thermo_style custom step etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
thermo 20

run 2000
PPPM initialization ...
  using 12-bit tables for long-range coulomb
  G vector (1/distance) = 0.21745695
  grid = 10 10 10
  stencil order = 5
  estimated absolute RMS force accuracy = 0.19728846
  estimated relative force accuracy = 0.00059412835
  using double precision FFTW3
  3d grid and FFT values/proc = 1500 250
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
WARNING: fix drude/transform/direct is not compatible with box changing rigid fixes (src/DRUDE/fix_drude_transform.cpp:63)
WARNING: fix drude/transform/inverse is not compatible with box changing rigid fixes (src/DRUDE/fix_drude_transform.cpp:63)
Per MPI rank memory allocation (min/avg/max) = 19.79 | 19.8 | 19.8 Mbytes
   Step         TotEng         KinEng         PotEng         E_bond        E_angle         E_vdwl         E_coul         E_long         Press          Volume          Temp        c_TEMP[1]      c_TEMP[2]   
         0   4568.0413      903.41148      3664.6298      623.46454      0              2890.2449      157955.66     -157804.74      244591.07      13824          202.18534      295.64644      14.858785    
        20   3742.804       5338.7614     -1595.9573      567.31438      0              662.23219      155098.5      -157924         31679.837      13979.574      1194.8258      1690.216       201.65566    
        40   2752.9143      4408.0187     -1655.1044      792.79849      0              870.28625      154593.88     -157912.07      27391.288      14278.562      986.52362      1450.7955      56.071052    
        60   1996.1731      3981.3949     -1985.2219      660.70051      0              750.59168      154537.92     -157934.44      22248.073      14691.411      891.04436      1315.5247      40.301495    
        80   1377.1758      3449.1889     -2072.0131      617.70604      0              605.68184      154629.26     -157924.66      17346.859      15201.403      771.93554      1146.4106      21.441531    
       100   885.92847      3038.5763     -2152.6478      537.95926      0              451.03408      154788.31     -157929.95      13263.179      15783.381      680.03961      1012.0156      14.727569    
       120   488.39156      2929.3676     -2440.9761      536.28779      0              334.54845      154619.57     -157931.38      8695.4015      16409.611      655.59849      977.8064       9.87147      
       140   159.83604      2539.1506     -2379.3145      508.99404      0              249.91987      154793.13     -157931.36      6372.2122      17053.637      568.26711      848.13296      7.290211     
       160  -102.88337      2399.5796     -2502.463       492.9079       0              146.33607      154794.35     -157936.05      4050.7534      17699.405      537.03084      802.30473      5.4090063    
       180  -314.65507      2209.0388     -2523.6938      473.02911      0              80.397917      154857.19     -157934.31      1951.1533      18337.578      494.38741      738.87352      4.4264123    
       200  -489.70532      2072.7675     -2562.4728      475.31276      0              84.805908      154809.28     -157931.87      1224.6475      18961.468      463.88961      693.62088      3.4993116    
       220  -645.4304       2019.0345     -2664.4649      503.5444       0              67.957779      154696.53     -157932.5       86.058767      19566.152      451.86406      675.94043      2.8076024    
       240  -773.51441      1868.3398     -2641.8542      484.91248      0              47.183689      154760.56     -157934.51     -532.67353      20147.01       418.13828      625.62714      2.3243039    
       260  -888.09783      1786.2477     -2674.3456      484.39941      0              51.049025      154728.61     -157938.41     -1028.0376      20700.786      399.76591      598.13559      2.1359729    
       280  -985.72183      1618.3588     -2604.0806      491.91066      0              102.72376      154734.83     -157933.54     -701.39302      21225.827      362.19202      542.06246      1.7267561    
       300  -1072.6039      1545.8267     -2618.4306      503.41234      0              142.28491      154669.68     -157933.81     -605.49631      21726.261      345.95919      517.8376       1.510435     
       320  -1149.0685      1572.7437     -2721.8122      508.5038       0              121.85673      154581.48     -157933.65     -1417.8039      22203.627      351.98327      526.95566      1.3345116    
       340  -1218.961       1498.8508     -2717.8118      495.58025      0              115.99057      154605.14     -157934.52     -1561.1797      22653.307      335.44589      502.17622      1.3143288    
       360  -1284.6022      1484.7473     -2769.3495      509.67654      0              156.25964      154496.17     -157931.46     -1373.9215      23074.684      332.28949      497.485        1.2338975    
       380  -1348.5775      1428.1245     -2776.702       542.77232      0              182.57869      154426.37     -157928.43     -1449.9521      23469.749      319.6172       478.55136      1.1096229    
       400  -1408.1657      1421.2467     -2829.4124      554.83922      0              202.71861      154345.15     -157932.12     -1800.6962      23838.914      318.07792      476.27167      1.0542626    
       420  -1463.7745      1362.4528     -2826.2273      551.6772       0              205.42097      154350.97     -157934.29     -1666.3443      24180.547      304.91974      456.60053      0.94830633   
       440  -1516.8618      1335.1064     -2851.9682      553.99963      0              193.40053      154334.51     -157933.87     -1819.2039      24495.338      298.79956      447.4731       0.85487959   
       460  -1565.764       1332.8485     -2898.6125      577.68949      0              217.9812       154238.49     -157932.77     -1989.7862      24781.357      298.29423      446.72349      0.83910842   
       480  -1614.2817      1268.4229     -2882.7046      597.47527      0              281.74816      154170.73     -157932.65     -1513.1186      25038.201      283.87564      425.13165      0.79587531   
       500  -1660.5707      1317.7        -2978.2707      605.48334      0              269.9291       154078.28     -157931.96     -1951.6899      25270.35       294.90397      441.68442      0.75325638   
       520  -1708.6349      1259.4482     -2968.0831      611.76622      0              279.21981      154074.6      -157933.67     -1672.6893      25475.475      281.86708      422.13981      0.75790156   
       540  -1753.3098      1257.9247     -3011.2345      633.96087      0              346.32068      153939.54     -157931.06     -1364.6102      25655.748      281.52614      421.63143      0.75251034   
       560  -1797.2168      1249.9018     -3047.1186      656.53226      0              364.34477      153858.89     -157926.88     -1195.3605      25815.27       279.73058      418.93845      0.75538522   
       580  -1842.9085      1237.598      -3080.5064      674.10353      0              410.23832      153767.4      -157932.25     -1183.9196      25956.039      276.97696      414.82049      0.73594725   
       600  -1885.8008      1232.3664     -3118.1671      701.51667      0              444.27033      153670.34     -157934.29     -977.66739      26080.32       275.80612      413.00845      0.84986321   
       620  -1930.7372      1187.6346     -3118.3718      700.20957      0              448.47796      153663.47     -157930.53     -940.7399       26189.986      265.79506      398.0417       0.77017959   
       640  -1971.1218      1215.0787     -3186.2005      745.43778      0              488.16502      153514.27     -157934.07     -1066.451       26285.187      271.9371       407.22957      0.80826648   
       660  -2013.202       1147.9523     -3161.1543      732.74944      0              481.10606      153560.74     -157935.75     -906.37751      26365.509      256.91408      384.73512      0.75816049   
       680  -2048.822       1166.8232     -3215.6452      734.7782       0              472.70472      153510.26     -157933.39     -1033.6086      26431.508      261.13742      391.02321      0.84355843   
       700  -2085.6384      1156.5239     -3242.1622      750.8323       0              474.62787      153467.59     -157935.21     -1443.7479      26482.42       258.83241      387.55984      0.85990111   
       720  -2122.2118      1150.3742     -3272.586       767.98582      0              518.9642       153375.02     -157934.55     -829.44564      26515.373      257.45611      385.48321      0.88699925   
       740  -2158.9907      1143.722      -3302.7126      808.99417      0              551.24001      153269.06     -157932.01     -1015.335       26535.36       255.96732      383.26259      0.86484761   
       760  -2193.8279      1155.8579     -3349.6859      818.97509      0              548.24771      153215.65     -157932.56     -1337.2811      26541.524      258.68338      387.29513      0.94250664   
       780  -2232.3541      1125.7455     -3358.0997      815.9537       0              541.21491      153216.42     -157931.69     -1267.4384      26529.442      251.94416      377.25505      0.81848544   
       800  -2268.6006      1104.8202     -3373.4209      828.62762      0              565.70139      153162.95     -157930.7      -1279.358       26499.464      247.26103      370.20984      0.8688926    
       820  -2300.1813      1096.079      -3396.2603      852.57732      0              595.28673      153088.25     -157932.37     -903.23133      26453.302      245.30473      367.27751      0.86854861   
       840  -2330.7203      1088.5216     -3419.2419      871.17638      0              606.8758       153035.86     -157933.15     -978.0265       26394.47       243.61336      364.72886      0.89512627   
       860  -2363.7162      1125.3661     -3489.0823      888.74088      0              614.64378      152938.83     -157931.29     -988.96247      26322.409      251.85925      377.05668      0.96065604   
       880  -2396.7265      1095.0977     -3491.8242      909.69528      0              660.80945      152869.58     -157931.9      -749.63996      26238.08       245.08512      366.87428      1.0166188    
       900  -2428.8071      1055.1522     -3483.9593      945.39913      0              732.64842      152769.78     -157931.78     -186.74938      26146.056      236.14522      353.46278      1.037813     
       920  -2454.755       1062.8625     -3517.6174      945.33483      0              713.25622      152756.49     -157932.7      -399.65271      26052.234      237.8708       356.00272      1.1312168    
       940  -2480.49        1093.8831     -3574.3731      954.57919      0              662.27016      152741.15     -157932.37     -1072.5227      25953.974      244.81328      366.41839      1.1134316    
       960  -2511.3043      1062.5025     -3573.8069      965.10314      0              684.3977       152708.56     -157931.87     -1030.0719      25844.681      237.79025      355.8987       1.0977633    
       980  -2541.6001      1089.6397     -3631.2397      959.7763       0              681.27171      152661.69     -157933.98     -1032.4124      25723.781      243.8636       364.99499      1.1130784    
      1000  -2571.4522      1027.5585     -3599.0107      978.12532      0              725.01025      152631.06     -157933.2      -753.32118      25592.084      229.96969      344.09844      1.252267     
      1020  -2596.0869      1034.7495     -3630.8364      992.96417      0              716.163        152595.39     -157935.35     -641.17647      25452.19       231.57906      346.53897      1.1960899    
      1040  -2623.1018      1027.7545     -3650.8564      995.23808      0              741.85683      152546.98     -157934.94     -767.12336      25305.439      230.01357      344.18211      1.2164736    
      1060  -2647.7439      1047.14       -3694.8838      1025.8106      0              771.39542      152444.06     -157936.15     -474.61857      25151.947      234.35207      350.68275      1.2220262    
      1080  -2672.946       1020.547      -3693.493       1030.4924      0              787.41101      152420.48     -157931.87     -533.75329      24994.124      228.40051      341.80661      1.1315224    
      1100  -2697.603       1059.6322     -3757.2353      1043.7004      0              765.78153      152365.81     -157932.53     -737.93274      24832.118      237.14787      354.88032      1.2086621    
      1120  -2726.4655      1016.7579     -3743.2234      1030.9457      0              739.55205      152422.26     -157935.98     -977.54624      24663.58       227.5525       340.52736      1.1476881    
      1140  -2753.5509      1009.9073     -3763.4583      1049.2619      0              774.75156      152348.31     -157935.78     -739.79048      24486.327      226.01934      338.19449      1.2169847    
      1160  -2778.6319      1047.0337     -3825.6657      1070.4599      0              777.41862      152261.61     -157935.16     -919.25209      24302.858      234.3283       350.63846      1.2393198    
      1180  -2804.8049      1059.5681     -3864.373       1073.256       0              755.76432      152243.98     -157937.37     -1305.5017      24112.191      237.13352      354.85534      1.2156204    
      1200  -2834.411       1020.4655     -3854.8764      1085.1241      0              805.34101      152191.12     -157936.46     -785.22636      23911.491      228.38227      341.78399      1.1220595    
      1220  -2859.9886      1042.5699     -3902.5585      1106.17        0              830.16558      152095.77     -157934.67     -478.37739      23706.016      233.32928      349.1866       1.1480018    
      1240  -2885.4714      1023.482      -3908.9534      1110.9634      0              835.46562      152080.27     -157935.65     -779.77843      23499.598      229.05738      342.82329      1.0674463    
      1260  -2908.9058      1020.2332     -3929.1389      1144.4087      0              858.10529      152006.47     -157938.13     -322.80512      23290.656      228.33028      341.74264      1.0489024    
      1280  -2932.5771      1028.5133     -3961.0904      1168.2646      0              875.84942      151931.58     -157936.78     -485.53915      23082.386      230.18339      344.55136      0.98708978   
      1300  -2957.2589      1024.7343     -3981.9931      1182.6911      0              875.26754      151896.09     -157936.04     -379.35386      22874.749      229.33763      343.25469      1.0448486    
      1320  -2982.5808      999.9146      -3982.4954      1187.6663      0              877.75015      151888.15     -157936.06     -586.16749      22667.741      223.78294      334.96225      0.97674992   
      1340  -3006.6662      1046.3612     -4053.0274      1181.0464      0              854.2088       151846.61     -157934.89     -811.1582       22459.982      234.17778      350.54125      0.98248515   
      1360  -3033.2062      1021.5496     -4054.7558      1186.782       0              869.76275      151825.44     -157936.74     -770.66861      22250.262      228.6249       342.23076      0.95593742   
      1380  -3057.6592      1028.4577     -4086.1169      1222.7348      0              928.18938      151699.17     -157936.21     -169.24146      22039.768      230.17095      344.52951      0.99349376   
      1400  -3081.9852      1031.3983     -4113.3835      1252.811       0              932.46491      151640.51     -157939.17     -583.49742      21832.206      230.82906      345.44317      1.0929399    
      1420  -3104.8157      1008.5966     -4113.4123      1252.187       0              937.88914      151632.88     -157936.37     -81.327413      21626.881      225.726        337.77571      0.9829291    
      1440  -3128.4812      1014.0088     -4142.49        1248.4017      0              934.1283       151614.65     -157939.67     -504.87543      21425.776      226.93725      339.57617      1.0744606    
      1460  -3150.3428      976.41023     -4126.7531      1269.033       0              960.1448       151585.05     -157940.98      60.506093      21227.458      218.52261      327.1127       0.90540107   
      1480  -3167.368       1014.5694     -4181.9374      1288.7605      0              945.6115       151524.83     -157941.14     -424.43489      21034.32       227.06271      339.80009      1.049166     
      1500  -3190.5598      976.80381     -4167.3636      1245.793       0              916.3121       151610.74     -157940.21     -416.36495      20843.778      218.6107       327.26642      0.83766403   
      1520  -3211.7588      957.13437     -4168.8932      1268.0563      0              927.04054      151573.67     -157937.66     -384.90167      20654.694      214.20864      320.68341      0.83066435   
      1540  -3229.0216      976.05768     -4205.0793      1258.534       0              917.31859      151558.33     -157939.26     -617.02321      20467.56       218.44371      327.03175      0.83075168   
      1560  -3247.6892      977.4466      -4225.1358      1268.4986      0              926.77076      151519        -157939.41     -402.45874      20281.21       218.75456      327.48546      0.8552379    
      1580  -3265.0261      977.39786     -4242.424       1279.9648      0              964.04829      151452.2      -157938.64     -98.13151       20097.081      218.74365      327.46779      0.85787834   
      1600  -3281.8276      1018.764      -4300.5916      1311.4426      0              972.75486      151353.89     -157938.68     -257.11435      19917.223      228.00148      341.2766       0.96789218   
      1620  -3300.9464      1002.8588     -4303.8052      1326.7465      0              992.68998      151315.74     -157938.98      183.72418      19741.225      224.44187      335.95153      0.9736564    
      1640  -3318.5198      998.20822     -4316.728       1365.799       0              1005.2275      151252.44     -157940.19     -34.685188      19571.29       223.40105      334.38283      0.95529495   
      1660  -3338.4488      971.32546     -4309.7742      1351.7263      0              1030.4441      151247.77     -157939.72      506.94953      19406.886      217.38463      325.42602      0.86708116   
      1680  -3356.0419      989.22121     -4345.2631      1356.007       0              1018.3534      151221.17     -157940.79     -17.220352      19249.341      221.38974      331.35655      0.96388143   
      1700  -3373.8944      1003.4517     -4377.3461      1338.1799      0              984.80144      151239.32     -157939.65     -337.78038      19096.069      224.57455      336.16744      0.90880616   
      1720  -3394.1879      961.84915     -4356.0371      1320.9468      0              987.1861       151275.01     -157939.18     -4.7837361      18945.45       215.26381      322.14643      0.98780423   
      1740  -3409.6947      981.77338     -4391.4681      1353.1213      0              970.92411      151227.21     -157942.72     -425.0337       18798.377      219.7229       328.91215      0.88407486   
      1760  -3425.7768      983.63075     -4409.4075      1341.9951      0              941.8699       151250.19     -157943.46     -685.09633      18652.619      220.13858      329.51108      0.92706691   
      1780  -3444.8391      952.10437     -4396.9434      1351.1998      0              947.58058      151248.36     -157944.09     -590.08548      18506.276      213.08291      318.94286      0.9166677    
      1800  -3460.3346      937.58477     -4397.9193      1333.9336      0              980.85562      151229.57     -157942.28     -209.17738      18359.756      209.8334       313.97935      1.0204731    
      1820  -3472.9295      947.18481     -4420.1143      1365.3632      0              997.39797      151161.39     -157944.27      175.21029      18214.918      211.98191      317.26792      0.97870271   
      1840  -3486.8386      959.47917     -4446.3177      1405.0506      0              1019.2857      151072.93     -157943.59     -267.96323      18073.637      214.73341      321.26797      1.1290127    
      1860  -3499.7371      953.24217     -4452.9792      1420.9936      0              1041.1202      151028.95     -157944.04      281.41179      17935.222      213.33755      319.25828      1.0206561    
      1880  -3510.6914      952.519       -4463.2104      1400.2433      0              1024.2012      151056.39     -157944.04      319.70939      17801.574      213.17571      319.04065      1.0194665    
      1900  -3525.2         960.23091     -4485.4309      1438.8497      0              1048.4495      150970.34     -157943.07      195.70202      17673.152      214.90165      321.48711      1.2018222    
      1920  -3537.5442      950.41769     -4487.9619      1461.4529      0              1106.441       150887.8      -157943.66      896.93466      17549.469      212.70543      318.25213      1.158464     
      1940  -3550.5145      985.16757     -4535.682       1499.9254      0              1144.418       150763.42     -157943.45      927.17594      17433.393      220.48252      329.92044      1.1380912    
      1960  -3563.2721      984.03667     -4547.3087      1451.8112      0              1088.0333      150854.91     -157942.07      859.82862      17325.714      220.22943      329.54726      1.1235927    
      1980  -3578.7283      970.17097     -4548.8993      1434.8504      0              1071.5269      150886.73     -157942         458.59903      17225.081      217.12625      324.90291      1.1386941    
      2000  -3593.5837      969.63909     -4563.2228      1430.3707      0              1094.0958      150854.97     -157942.66      1017.335       17129.996      217.00722      324.69537      1.1968901    
Loop time of 13.3437 on 4 procs for 2000 steps with 2500 atoms

Performance: 12.950 ns/day, 1.853 hours/ns, 149.883 timesteps/s, 374.708 katom-step/s
92.0% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.8543     | 7.1444     | 7.3595     |   6.9 | 53.54
Bond    | 0.0036752  | 0.0038783  | 0.004192   |   0.3 |  0.03
Kspace  | 1.166      | 1.4599     | 1.7797     |  18.0 | 10.94
Neigh   | 0.86585    | 0.9585     | 1.0367     |   6.4 |  7.18
Comm    | 0.52102    | 0.72519    | 0.94277    |  17.7 |  5.43
Output  | 0.0030726  | 0.003594   | 0.004151   |   0.6 |  0.03
Modify  | 2.9411     | 3.0148     | 3.1134     |   3.7 | 22.59
Other   |            | 0.03346    |            |       |  0.25

Nlocal:            625 ave         679 max         574 min
Histogram: 1 0 0 1 0 0 1 0 0 1
Nghost:          12431 ave       12721 max       12121 min
Histogram: 1 0 0 1 0 0 0 1 0 1
Neighs:         521460 ave      541366 max      474982 min
Histogram: 1 0 0 0 0 0 0 0 1 2

Total # of neighbors = 2085839
Ave neighs/atom = 834.3356
Ave special neighs/atom = 4
Neighbor list builds = 122
Dangerous builds = 0

Total wall time: 0:00:13
